2-methoxyestrone

Description

2-methoxyestrone · CAS 362-08-3 · C19H24O3. UNII SJ5857RRL3. Melting Point: 187.0 - 189.5 °C; Collision Cross Section: 183.9 Ų [M-H]-; Collision Cross Section: 200.4 Ų [M+Na]+.

Identification

CAS Registry Number	362-08-3
PubChem CID	440624
Molecular formula	C19H24O3
IUPAC name	(8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
UNII (FDA)	SJ5857RRL3

Computed Descriptors

Molecular Weight	300.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	300.17254462
Monoisotopic Mass	300.17254462
Topological Polar Surface Area	46.5
Heavy Atom Count	22
Formal Charge	0

Physical & Chemical Properties

Melting Point	187.0 - 189.5 °C
Collision Cross Section	183.9 Ų [M-H]-
Collision Cross Section	200.4 Ų [M+Na]+
Collision Cross Section	173.4 Ų [M+H]+

Physical description & handling notes

• Solid; [Sigma-Aldrich MSDS]
• Solid
• 184.55 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
• 174.47 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
• 201.71 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

GHS Hazard Classification

Reported hazard statements	H351 (100%), H400 (100%), H410 (100%)

Documented Uses

• 2-Methoxyestrone has known human metabolites that include (8R,9S,13S,14S)-2-Methoxy-13-methyl-3-[(2R,3R,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
• 2-Methoxyestrone is a known human metabolite of 2-hydroxyestrone.

Synonyms

2-METHOXYESTRONE; 362-08-3; 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one; SJ5857RRL3; CHEBI:1189; GSS-33; 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one; RefChem:87906; 2-MeOE1; 2-OMeE1; 2-MeE1; (1S,10R,11S,15S)-5-hydroxy-4-methoxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-one; 206-645-6; 2-Methoxy Estrone; 2-Hydroxyestrone 2-methyl ether; Estrone, 2-methoxy-

Frequently Asked Questions

What are the CAS number and molecular formula of 2-methoxyestrone?

CAS 362-08-3; molecular formula C19H24O3; molecular weight — g/mol.

What other names is 2-methoxyestrone known by?

2-METHOXYESTRONE, 362-08-3, 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one, SJ5857RRL3, CHEBI:1189, GSS-33.

Is 2-methoxyestrone classified as hazardous?

Hazard statements reported: H351, H400, H410.

What are the key physical properties of 2-methoxyestrone?

Melting Point: 187.0 - 189.5 °C; Collision Cross Section: 183.9 Ų [M-H]-; Collision Cross Section: 200.4 Ų [M+Na]+; Collision Cross Section: 173.4 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.